Basic information
- CAS
1263174-56-6- Standard SMILES
CC(C)(C)OC(=O)N1CC(F)[C@@H]2NCC(F)[C@@H]21- InChIKey
UCSCMZPJPBYFGB-PEBLOWIWSA-N- Molecular formula
- C11H18F2N2O2
- Average molar mass
- 248.27 g/mol
- Monoisotopic mass
- 248.13363415
Names & identifiers
- Preferred name
- Pyrrolo[3,2-b]pyrrole-1(2H)-carboxylic acid, 3,6-difluorohexahydro-, 1,1-dimethylethyl ester, (3aR,6aR)-rel-
- IUPAC
- tert-butyl (3aR,6aR)-3,6-difluoro-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole-4-carboxylate
Names & synonyms
DTXSID8011091761263174-56-6Pyrrolo[3,2-b]pyrrole-1(2H)-carboxylic acid, 3,6-difluorohexahydro-, 1,1-dimethylethyl ester, (3aR,6aR)-rel-
Database identifiers
- CAS
1263174-56-6- PubChem CID
- 165367481
- DTXSID
DTXSID801109176
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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